Tromethamine

Tromethamine

SCHEMBL8637539

NC(=O)CCCc1ccc([N+](=O)[O-])cc1.NC(CO)(CO)CO

nearest known ligand 0.53

Full drug profile on Sugi Atlas →

Known targets — ChEMBL curated mechanism

DHFRGARTPTGFRPTGIRPTGS1PTGS2TUBA1ATUBA1BTUBA1CTUBA3CTUBA3ETUBA4ATUBBTUBB1TUBB2ATUBB2BTUBB3TUBB4ATUBB4BTUBB6TUBB8envmurAthyA

The experimentally established mechanism targets of Tromethamine. The predicted profile below is derived independently by chemical similarity — agreement is a validation signal, a miss is honest.

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.53
MAPT P10636 4/20 0.51
KMT2A Q03164 2/20 0.51
LOXL2 Q9Y4K0 1/20 0.44
KCNJ1 P48048 2/20 0.43
IDO1 P14902 3/20 0.43
ALDH1A1 P00352 3/20 0.43
LMNA P02545 1/20 0.43
GAA P10253 1/20 0.43
MEN1 O00255 1/20 0.43
CYP2C19 P33261 1/20 0.43
HTT P42858 1/20 0.43
NPSR1 Q6W5P4 1/20 0.43
NPC1 O15118 2/20 0.42
RAB9A P51151 2/20 0.42
SMN1; SMN2 Q16637 2/20 0.42
CES1 P23141 1/20 0.41
KCNH2 Q12809 1/20 0.41
TAAR1 Q96RJ0 1/20 0.41
CRHBP P24387 1/20 0.40

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2850348 0.89 TSHR (0.59) TSHRMAPTKMT2ALOXL2KCNJ1
SCHEMBL6821944 0.85 TSHR (0.58) TSHRMAPTKMT2ALOXL2KCNJ1
SCHEMBL8499877 0.84 TSHR (0.57) TSHRMAPTKMT2ALOXL2KCNJ1
SCHEMBL530075 0.81 TSHR (0.61) TSHRMAPTKMT2ALOXL2KCNJ1
SCHEMBL135651 0.77 TSHR (0.59) TSHRMAPTKMT2AKCNJ1ALDH1A1
SCHEMBL28066215 0.76 TSHR (0.47) TSHRMAPTKMT2ALOXL2KCNJ1
SCHEMBL7717557 0.76 TSHR (0.51) TSHRMAPTKMT2AKCNJ1ALDH1A1
SCHEMBL8934569 0.75 TSHR (0.58) TSHRMAPTKMT2ALOXL2KCNJ1
SCHEMBL5030925 0.75 TSHR (0.58) TSHRMAPTKMT2ALOXL2KCNJ1
SCHEMBL7733298 0.75 TSHR (0.58) TSHRMAPTKMT2ALOXL2KCNJ1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0832111-A4 MODIFIED AVIDIN AND STREPTAVIDIN AND METHODS OF USE THEREOF ROSEBROUGH SCOTT F (US) 1999-03-03 EP disclosed
EP-0832111-A1 MODIFIED AVIDIN AND STREPTAVIDIN AND METHODS OF USE THEREOF Rosebrough, Scott F. (US) 1998-04-01 EP disclosed
WO-1996040761-A9 MODIFIED AVIDIN AND STREPTAVIDIN AND METHODS OF USE THEREOF 1997-01-30 WO disclosed
WO-1996040761-A1 MODIFIED AVIDIN AND STREPTAVIDIN AND METHODS OF USE THEREOF ROSEBROUGH SCOTT F (US) 1996-12-19 WO disclosed